| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379320 | Chemical Physics Letters | 2015 | 11 Pages |
Abstract
- The aromatic P2N3â ring is investigated by coupled-cluster method.
- IR, Raman, and NMR properties are computed and match quite well with experiment.
- The UV and photoelectron spectra are predicted by excited states calculations.
- The ambiguities of DFT methods are eliminated.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yifan Jin, Ajith Perera, Rodney J. Bartlett,